ethane;(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine

C16H30FN — CID 142309002

IUPACethane;(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine
SMILESC/C=C(\C=C/C(=C\C)N(C)CCF)C(C)C.CC
InChIInChI=1S/C14H24FN.C2H6/c1-6-13(12(3)4)8-9-14(7-2)16(5)11-10-15;1-2/h6-9,12H,10-11H2,1-5H3;1-2H3/b9-8-,13-6+,14-7+;
InChIKeyVARCMPUNQCSHOF-BYZMPAHMSA-N
MW255.42 g/mol
LogP4.98
Rot. Bonds6

About ethane;(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine

ethane;(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine (PubChem CID 142309002) has the molecular formula C16H30FN and a molecular weight of 255.42 g/mol. Its IUPAC name is ethane;(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine.

Molecular Properties

Compound Nameethane;(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine
PubChem CID142309002
Molecular FormulaC16H30FN
Molecular Weight255.42 g/mol
Exact Mass255.24
IUPAC Nameethane;(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine
SMILESC/C=C(\C=C/C(=C\C)N(C)CCF)C(C)C.CC
InChIInChI=1S/C14H24FN.C2H6/c1-6-13(12(3)4)8-9-14(7-2)16(5)11-10-15;1-2/h6-9,12H,10-11H2,1-5H3;1-2H3/b9-8-,13-6+,14-7+;
InChIKeyVARCMPUNQCSHOF-BYZMPAHMSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.42
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine?
The IUPAC name of ethane;(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine (CID 142309002) is ethane;(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine.
What is the SMILES notation for ethane;(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine?
The canonical SMILES for ethane;(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine is C/C=C(\C=C/C(=C\C)N(C)CCF)C(C)C.CC.
What is the InChIKey of ethane;(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine?
The InChIKey is VARCMPUNQCSHOF-BYZMPAHMSA-N. The full InChI is InChI=1S/C14H24FN.C2H6/c1-6-13(12(3)4)8-9-14(7-2)16(5)11-10-15;1-2/h6-9,12H,10-11H2,1-5H3;1-2H3/b9-8-,13-6+,14-7+;.
What are the key properties of ethane;(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine?
ethane;(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine has a molecular weight of 255.42 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z,6Z)-N-(2-fluoroethyl)-N-methyl-6-propan-2-ylocta-2,4,6-trien-3-amine is sourced from PubChem (CID 142309002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).